5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid

C12H18N2O4 — CID 113432530

IUPAC5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCN1CCOC(CNCc2cc(C(=O)O)co2)C1
InChIInChI=1S/C12H18N2O4/c1-14-2-3-17-11(7-14)6-13-5-10-4-9(8-18-10)12(15)16/h4,8,11,13H,2-3,5-7H2,1H3,(H,15,16)
InChIKeyAXLNHAAJVJAIJD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.40
Rot. Bonds5

About 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid

5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 113432530) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID113432530
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCN1CCOC(CNCc2cc(C(=O)O)co2)C1
InChIInChI=1S/C12H18N2O4/c1-14-2-3-17-11(7-14)6-13-5-10-4-9(8-18-10)12(15)16/h4,8,11,13H,2-3,5-7H2,1H3,(H,15,16)
InChIKeyAXLNHAAJVJAIJD-UHFFFAOYSA-N
XLogP0.40
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103255451
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79083326
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
1-(4-methylmorpholin-2-yl)-N-[(5-phenylfuran-2-yl)methyl]methanamine
CID 119123106
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 78943189

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid (CID 113432530) is 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid is CN1CCOC(CNCc2cc(C(=O)O)co2)C1.
What is the InChIKey of 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is AXLNHAAJVJAIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-14-2-3-17-11(7-14)6-13-5-10-4-9(8-18-10)12(15)16/h4,8,11,13H,2-3,5-7H2,1H3,(H,15,16).
What are the key properties of 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).